[3-(5-methyltetrazol-1-yl)phenyl]thiourea

C9H10N6S — CID 169356763

IUPAC[3-(5-methyltetrazol-1-yl)phenyl]thiourea
SMILESCc1nnnn1-c1cccc(NC(N)=S)c1
InChIInChI=1S/C9H10N6S/c1-6-12-13-14-15(6)8-4-2-3-7(5-8)11-9(10)16/h2-5H,1H3,(H3,10,11,16)
InChIKeyPQYYQFHSBMGLQT-UHFFFAOYSA-N
MW234.29 g/mol
LogP0.63
Rot. Bonds2

About [3-(5-methyltetrazol-1-yl)phenyl]thiourea

[3-(5-methyltetrazol-1-yl)phenyl]thiourea (PubChem CID 169356763) has the molecular formula C9H10N6S and a molecular weight of 234.29 g/mol. Its IUPAC name is [3-(5-methyltetrazol-1-yl)phenyl]thiourea.

Molecular Properties

Compound Name[3-(5-methyltetrazol-1-yl)phenyl]thiourea
PubChem CID169356763
Molecular FormulaC9H10N6S
Molecular Weight234.29 g/mol
Exact Mass234.07
IUPAC Name[3-(5-methyltetrazol-1-yl)phenyl]thiourea
SMILESCc1nnnn1-c1cccc(NC(N)=S)c1
InChIInChI=1S/C9H10N6S/c1-6-12-13-14-15(6)8-4-2-3-7(5-8)11-9(10)16/h2-5H,1H3,(H3,10,11,16)
InChIKeyPQYYQFHSBMGLQT-UHFFFAOYSA-N
XLogP0.63
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 61178099
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 18717027
(2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104902927
2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 47329361
phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate
CID 69112128
4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 81075886
4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560652
2-hydroxy-N-[3-(5-methyltetrazol-1-yl)phenyl]-2-phenylacetamide
CID 111432358
2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43713354
7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride
CID 119733067
2-(aminomethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 65230278
2-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]hexanamide
CID 60854574

Frequently Asked Questions

What is the IUPAC name of [3-(5-methyltetrazol-1-yl)phenyl]thiourea?
The IUPAC name of [3-(5-methyltetrazol-1-yl)phenyl]thiourea (CID 169356763) is [3-(5-methyltetrazol-1-yl)phenyl]thiourea.
What is the SMILES notation for [3-(5-methyltetrazol-1-yl)phenyl]thiourea?
The canonical SMILES for [3-(5-methyltetrazol-1-yl)phenyl]thiourea is Cc1nnnn1-c1cccc(NC(N)=S)c1.
What is the InChIKey of [3-(5-methyltetrazol-1-yl)phenyl]thiourea?
The InChIKey is PQYYQFHSBMGLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6S/c1-6-12-13-14-15(6)8-4-2-3-7(5-8)11-9(10)16/h2-5H,1H3,(H3,10,11,16).
What are the key properties of [3-(5-methyltetrazol-1-yl)phenyl]thiourea?
[3-(5-methyltetrazol-1-yl)phenyl]thiourea has a molecular weight of 234.29 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyltetrazol-1-yl)phenyl]thiourea is sourced from PubChem (CID 169356763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).